2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3718-0007 |
| Compound Name: | 2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C24 H22 N2 O4 |
| Smiles: | COc1cccc(C2C(C#N)=C(N)OC3CC(CC(C2=3)=O)c2ccccc2)c1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5981 |
| logD: | 3.5981 |
| logSw: | -3.8461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.678 |
| InChI Key: | XUSIDXWGJKBKNQ-UHFFFAOYSA-N |